(2-phenyl-1-sulfonyl-heptan-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-phenyl-1-sulfonyl-heptan-3-yl) 4-methylbenzenesulfonate Openeye Name: 1-(1-phenyl-2-sulfonyl-ethyl)pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-phenyl-1-sulfonylheptan-3-yl) ester IUPAC Name: (2-phenyl-1-sulfonylheptan-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(1-phenyl-2-sulfonyl-ethyl)pentyl ester Formula: C20H24O5S2 MolecularWeight: 408.53156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C=S(=O)=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(C(C=S(=O)=O)C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H24O5S2/c1-3-4-10-20(19(15-26(21)22)17-8-6-5-7-9-17)25-27(23,24)18-13-11-16(2)12-14-18/h5-9,11-15,19-20H,3-4,10H2,1-2H3